Search Result "NVT"
Study on the Relationship Between Cyclodextrin Glycosyltransferase Thermostability and Salt Bridge Formation by Molecular Dynamics Simulation
Journal: Protein & Peptide Letters
Volume: 17 Issue: 1 Year: 2010 Page: 1403-1411
Author(s): Yi Fu, Yanrui Ding, Zhiguo Wang, Jun Sun, Wei Fang, Wenbo Xu
Fullerodendrimers: Photophysical Properties and Applications
Journal: Current Physical Chemistry
Volume: 1 Issue: 3 Year: 2011 Page: 195-215
Author(s): Ruben Caballero, Jean-Francois Nierengarten
Molecular Modelling Simulations and Inhibitory Effects of Naturally DerivedFlavonoids Targeting Platelet-Activating Factor Receptor (PAFR)
Journal: Letters in Drug Design & Discovery
Volume: 19 Issue: 1 Year: 2022 Page: 20-30
Author(s): Noraziah Nordin,Juriyati Jalil,Mohd Faiz Abd Ghani,Adib Afandi Abdullah,Rozana Othman
DFT, FMO, ESP, Molecular Docking and Molecular Dynamics Simulationsof Bis-2-(2-Phenethyl)Chromone as a Potential PPAR Agonist
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 7 Year: 2023 Page: 678-687
Author(s):
Identification of Therapeutic Drug Target of Stenotrophomonas maltophilia Through Subtractive Genomic Approach and in-silico Screening Based on 2D Similarity Filtration and Molecular Dynamic Simulation
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 25 Issue: 1 Year: 2022 Page: 123-138
Author(s): Rahul Chandela,Dhananjay Jade,Surender Mohan,Shobana Sugumar,Ridhi Sharma
Insight into the Binding of DFG-out Allosteric Inhibitors to B-Raf Kinase Using Molecular Dynamics and Free Energy Calculations
Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 2 Year: 2015 Page: 124-136
Author(s): Luis Coronel,Jose M. Granadino-Roldán,Marta Pinto,Maria S. Tomas,Maria D. Pujol,Jaime Rubio-Martinez
The Potential Mechanism of Eriodictyol in Treating Alzheimer's Disease: A Study onComputer-assisted Investigational Strategies
Journal: Current Pharmaceutical Design
Volume: 30 Issue: 26 Year: 2024 Page: 2086-2107
Author(s):
Low Energy, Low Latency and High Speed Array Divider Circuit Using a Shannon Theorem Based Adder Cell
Journal: Recent Patents on Nanotechnology
Volume: 3 Issue: 1 Year: 2009 Page: 61-72
Author(s): Chinnaiyan Senthilpari, Krishnamoorthy Diwakar, Ajay K. Singh
Identification of Novel PPARα/γ Dual Agonists by Virtual Screening of Specs Database
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 8 Year: 2016 Page: 644-655
Author(s): Jun Zhang,Xin Liu,Shu-Qing Wang,Jing-Wei Fu,Wei-Ren Xu,Xian-Chao Cheng,Run- Ling Wang
Recent Updates on Computer-aided Drug Discovery: Time for a Paradigm Shift
Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 30 Year: 2017 Page: 3296-3307
Author(s): Talambedu Usha,Dhivya Shanmugarajan,Arvind Kumar Goyal,Chinaga Suresh Kumar,Sushil Kumar Middha